Geometry & MOs

Info

ID:	15502
PubChem CID:	442814
Reduced:	O7H14C20 (1)
Stoich.:	A7B14C20 (1)
Weight, g/mol:	366.073953
ΔH_f, kcal/mol:	-171.33
Dipole, Da:	3.4
IP(EA), eV:	-8.54(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13S)-16-methoxy-5,7,11,14,18-pentaoxahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one

Drug info:

PubChemData

Smile

COC1=C2C(=CC3=C1O[C@@H]4COC5=CC6=C(C=C5[C@@H]4C3=O)OCO6)C=CO2

DOS

IR

Vibrations